1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol

C11H20OS — CID 71013581

IUPAC1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol
SMILESCC(C)CC(O)CCC1CC=CS1
InChIInChI=1S/C11H20OS/c1-9(2)8-10(12)5-6-11-4-3-7-13-11/h3,7,9-12H,4-6,8H2,1-2H3
InChIKeyJDNGFNITBORXOX-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.19
Rot. Bonds5

About 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol

1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol (PubChem CID 71013581) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol.

Molecular Properties

Compound Name1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol
PubChem CID71013581
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol
SMILESCC(C)CC(O)CCC1CC=CS1
InChIInChI=1S/C11H20OS/c1-9(2)8-10(12)5-6-11-4-3-7-13-11/h3,7,9-12H,4-6,8H2,1-2H3
InChIKeyJDNGFNITBORXOX-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-1-(2-methyl-2-propan-2-ylthian-3-yl)hex-5-en-2-ol
CID 53720917
(2S)-1-(2,5-dimethylthian-3-yl)hex-5-en-2-ol
CID 54022884
(2S)-1-(5-methyl-2-propan-2-ylthian-3-yl)hex-5-en-2-ol
CID 57150287
1-[(2R)-2,5-dimethylthian-3-yl]hex-5-en-1-ol
CID 69956042
1-(5-Methylthian-3-yl)hex-5-en-1-ol
CID 69957425
1-(2,3-Dihydrothiophen-3-yl)butan-2-ol
CID 70317603
5-But-1-en-2-yl-2-tert-butylthiolan-3-ol
CID 126589785
2-(2-decyl-3H-thiophen-2-yl)ethanol
CID 140241406
3-Hexyl-2,3-dihydrothiophen-2-ol
CID 143882626
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CID 166794759

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol?
The IUPAC name of 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol (CID 71013581) is 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol.
What is the SMILES notation for 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol?
The canonical SMILES for 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol is CC(C)CC(O)CCC1CC=CS1.
What is the InChIKey of 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol?
The InChIKey is JDNGFNITBORXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-9(2)8-10(12)5-6-11-4-3-7-13-11/h3,7,9-12H,4-6,8H2,1-2H3.
What are the key properties of 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol?
1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol has a molecular weight of 200.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol is sourced from PubChem (CID 71013581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).